(2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide

Systemtic Name: (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide Openeye Name: (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide CAS Name: (2R)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4-nitrophenyl)butanamide IUPAC Name: (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide Traditional Name: (2R)-2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-(4-nitrophenyl)butyramide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC(=CC(=N2)C)C

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C16H18N4O3S/c1-4-14(24-16-17-10(2)9-11(3)18-16)15(21)19-12-5-7-13(8-6-12)20(22)23/h5-9,14H,4H2,1-3H3,(H,19,21)/t14-/m1/s1